Han van der Waterbeemd, Bernard Testa, Gerd Folkers (Eds.)

Computer-Assisted Lead Finding and Optimization

ISBN: 3-906390-16-0
Hardcover
566 pages
June 1997

Description

Computer-assisted techniques are well-integrated in modern drug discovery and
used for the finding of new leads, the optimization of receptor or enzyme
affinity, as well as of pharmacokinetic and physicochemical properties.
In this book an account is found of current strategies used in computer-assisted
drug design. Important topics include progress in chemometrics, molecular
modeling and three-dimensional QSAR approaches. Relatively new mathematical
methods such as genetic algorithms or artificial neural networks and fuzzy logic
have found their application in rational molecular design. As is amply
illustrated, based on recent developments in these disciplines, important
progress has been made in lead finding strategies. This is of great importance
to the pharmaceutical industry.
Thus, all scientists investigating quantitative structure-activity relationships
in their broadest sense, in medicinal, agricultural, or environmental chemistry
will benefit from this book.